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template-Sr2MnO4 - relaxed

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Version of · via Relax a crystal structure

template-Sr2MnO4

99

Structure

Formula: Sr₂MnO₄
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 7
Lattice a, b, c: 3.858 Å3.859 Å6.867 Å
Angles α, β, γ: 106.32°106.31°90.00°
Volume: 93.83 Å³
Density: 5.21 g/cm³

Attribution

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Included in datasets

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Structure

Formula: Sr₂MnO₄
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 7
Lattice a, b, c: 3.858 Å3.859 Å6.867 Å
Angles α, β, γ: 106.32°106.31°90.00°
Volume: 93.83 Å³
Density: 5.21 g/cm³

Properties

Curie temperature

194 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.42 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -46.7481 eV; energy change = -0.0716 eV; symmetry: I4/mmm → I4/mmm

ARR license

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Stats

Size: 910 B
Type: .cif file
Downloads: 0

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Properties

Curie temperature

194 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.42 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

Connections

2

DataData

DataData

Overview

template-Sr2MnO4 - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Actions

Structure

Properties

Curie temperature

Saturation magnetization

Attribution

Stats

Properties

Curie temperature

Saturation magnetization

Connections

Included in datasets

Actions

Data

Data